General
Preferred name
PD047698
Synonyms
4-Fluoromethcathinone metabolite (hydrochloride) ((±)-Pseudoephedrine stereochemistry) ()
4-Fluoromethcathinone metabolite (hydrochloride) ((±)-Ephedrine stereochemistry) ()
P&D ID
PD047698
CAS
7799-73-7
7799-72-6
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
183.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.47
TPSA
32.26
Fraction CSP3
0.4
Chiral centers
2.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
